CID 6880128

478254-51-2

Structural Information

Molecular Formula
C21H15ClN4S
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)/C=N/N3C(=NNC3=S)C4=CC=CC=C4Cl
InChI
InChI=1S/C21H15ClN4S/c22-19-9-5-4-8-18(19)20-24-25-21(27)26(20)23-14-15-10-12-17(13-11-15)16-6-2-1-3-7-16/h1-14H,(H,25,27)/b23-14+
InChIKey
NVCPOGQGNIKLSN-OEAKJJBVSA-N
Compound name
3-(2-chlorophenyl)-4-[(E)-(4-phenylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.0706 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.07788 190.9
[M+Na]+ 413.05982 209.3
[M+NH4]+ 408.10442 199.4
[M+K]+ 429.03376 198.0
[M-H]- 389.06332 199.2
[M+Na-2H]- 411.04527 203.4
[M]+ 390.07005 196.8
[M]- 390.07115 196.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.